5-(5,6-dihydro-4H,9H-[1,3]dioxolo[4,5-h]pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)-2-methoxyphenol--hydrogen chloride (1/1)
Chemical Structure Depiction of
5-(5,6-dihydro-4H,9H-[1,3]dioxolo[4,5-h]pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)-2-methoxyphenol--hydrogen chloride (1/1)
5-(5,6-dihydro-4H,9H-[1,3]dioxolo[4,5-h]pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)-2-methoxyphenol--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8016-5031 |
| Compound Name: | 5-(5,6-dihydro-4H,9H-[1,3]dioxolo[4,5-h]pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)-2-methoxyphenol--hydrogen chloride (1/1) |
| Molecular Weight: | 386.83 |
| Molecular Formula: | C20 H18 N2 O4 |
| Salt: | HCl |
| Smiles: | COc1ccc(cc1O)C1c2cccn2c2cc3c(cc2CN1)OCO3 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9813 |
| logD: | -0.775 |
| logSw: | -3.016 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.339 |
| InChI Key: | VIOXUQSCXFOBSQ-HXUWFJFHSA-N |